928-40-5

Basic information

• Product Name: 1,5-HEXANEDIOL
• Synonyms: 1,5-HEXANEDIOL;hexane-1,5-diol;1,5-Dihydroxyhexane;1-Methyl-1,5-pentanediol;Hexane-2,6-diol;1,5-Hexanediol 99%
• CAS NO: 928-40-5
• Molecular Formula: C₆H₁₄O₂
• Molecular Weight: 118.17
• EINECS: 213-171-3
• Product Categories: Organic Building Blocks;Oxygen Compounds;Polyols;Building Blocks;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
• Mol File: 928-40-5.mol
• Article Data: 36

Chemical Properties

• Melting Point: 26.38°C (estimate)
• Boiling Point: 89-91 °C0.5 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.981 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00189mmHg at 25°C
• Refractive Index: n20/D 1.451(lit.)
• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• PKA: 15.16±0.10(Predicted)
• CAS DataBase Reference: 1,5-HEXANEDIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 1,5-HEXANEDIOL(928-40-5)
• EPA Substance Registry System: 1,5-HEXANEDIOL(928-40-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 2
• RTECS: MO2080000
• Hazardous Substances Data: 928-40-5(Hazardous Substances Data)

Usage

Uses

Hexane-2,6-diol is an intermediate in the synthesis of (R)-cis-5ξ-Methyl Atracurium Dibesylate (M288320), which is a derivative of Atracurium (A794500) Dibesylate which displays neuromuscular blocking activity.

General Description

Surface tension and binding constants were studied for 1,5-hexanediol.

InChI:InChI=1/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3

Upstream product

• 627-96-3 1,5-dibromohexane 
• 123-91-1 1,4-dioxane 
• 13984-57-1 ethyl 5-oxohexanoate 
• 21856-89-3 6-hydroxy-2-hexanone 
• 7732-18-5 water 
• 821-41-0 5-Hexen-1-ol 
• 3128-06-1 5-ketohexanoic acid 
• 1192-62-7 1-(2-furyl)-1-ethanone 
• 37965-52-9 2-hexyl-7-methyl-[1,2]oxaborepane 
• 823-22-3 5-hexanolide 
• 505-03-3 5-oxohexanal 
• 109610-72-2 6-(2-tetrahydropyranyl)oxy-2-hexanol 
• 7319-00-8 (E)-1,4-hexadiene 
• 10412-98-3 5-oxohexanenitrile 

Downstream Products

• 10141-72-7 2-methyloxane 
• 17230-09-0 2-ethoxy-5-methyltetrahydropyran 
• 823-22-3 5-hexanolide 
• 1204225-84-2 C₂₁H₂₈O₄ 
• 1402842-31-2 3-benzyl-2-methyl-1-phenylpiperidine 
• 108-94-1 cyclohexanone 
• 98936-68-6 1-benzoyloxy-5-hydroxyhexane 
• 98936-67-5 (S)-hexane-1,5-diyl dibenzoate 
• 21856-89-3 6-hydroxy-2-hexanone 
• 54844-23-4 5-benzoxy-1-hexanol 
• 158527-84-5 1,5-bis-trimethylsilyloxyhexane 
• 128733-41-5 Benzoic acid 5-trimethylsilanyloxy-hexyl ester 
• 128733-40-4 Benzoic acid 1-methyl-5-trimethylsilanyloxy-pentyl ester 
• 4286-55-9 1-bromo-6-hexanol 

Relevant articles and documents

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Enantioselective Synthesis Muqubilin and Negombatoperoxides B and C/D

Muqubilin, negombatoperoxide B, and negombatoperoxide C/D were synthesized through enantioselective routes, with the quaternary center derived from a peroxy chiral building block of known absolute configuration. The C-2/C-3 stereogenic centers were introduced by asymmetric aldol condensation, and the 1,2-dioxane ring was constructed via an intramolecular alkylation of a hydroperoxide with a mesylate. The synthetic samples showed physical and spectroscopic data consistent with those reported in the literature and thus verified the configurations of the natural products. A potentially more expeditious enantioselective entry to the 1,2-dioxane-aldol moiety (C-1 to C-6) of such cyclic peroxides was also briefly explored, where the C-2/C-3 stereogenic centers were installed through a [2+2] cycloaddition and the 1,2-dioxane ring was closed via an intramolecular alkylation coupled with an alkyl-oxygen cleavage of a β-lactone.

Metal complex and preparation method and application thereof

The invention discloses a post-transition metal bisphosphine diamine complex catalyst which is good in substrate applicability, and capable of efficiently catalyzing a hydrogenation alcohol productionreaction of various carbonyl derivatives such as esters, amides and carbonates different in structure. Central metal coordination of the metal complex catalyst has two diaminodiphosphine ligands o-PPh2C6H4NR1R2 and Ph2PCH2CH2NR3R4 (or o-PPh2C6H4CH2NR3R4, Ph2P(CH2) 3NR3R4) different in structure, and the metal complex can be obtained through a simple two-step synthesis method. The catalysts show the advantages of the two ligands in the catalytic hydrogenation process, and the defects of a complex catalyst formed by a single ligand in the aspect of applicability of substrates can be effectivelyovercome.